N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine

C54H38N2 — CID 58870889

About N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine

N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine (PubChem CID 58870889) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
• PubChem CID: 58870889
• Molecular Formula: C54H38N2
• Molecular Weight: 714.91 g/mol
• Exact Mass: 714.30
• IUPAC Name: N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
• SMILES: C(=C/c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1)\c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1
• InChI: InChI=1S/C54H38N2/c1-3-17-47(18-4-1)55(53-23-11-15-41-13-7-9-21-51(41)53)49-33-31-43-35-39(27-29-45(43)37-49)25-26-40-28-30-46-38-50(34-32-44(46)36-40)56(48-19-5-2-6-20-48)54-24-12-16-42-14-8-10-22-52(42)54/h1-38H/b26-25+
• InChIKey: QVEIQLQLHVBTKR-OCEACIFDSA-N
• XLogP: 15.41
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.91
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine?

The IUPAC name of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine (CID 58870889) is N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine?

The canonical SMILES for N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine is C(=C/c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1)\c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1.

What is the InChIKey of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine?

The InChIKey is QVEIQLQLHVBTKR-OCEACIFDSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-17-47(18-4-1)55(53-23-11-15-41-13-7-9-21-51(41)53)49-33-31-43-35-39(27-29-45(43)37-49)25-26-40-28-30-46-38-50(34-32-44(46)36-40)56(48-19-5-2-6-20-48)54-24-12-16-42-14-8-10-22-52(42)54/h1-38H/b26-25+.

What are the key properties of N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine?

N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 714.91 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 58870889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).